Vitas-M small molecule compound
(4E)-4-{[(2,6-dichloro-4-nitrophenyl)amino]methylidene}-5-methyl-2-(2-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL295188
SMILES CC1=NN(C(=O)/C/1=C/Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])c1ccccc1C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C18H14Cl2N4O3 MW 405.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14Cl2N4O3/c1-10-5-3-4-6-16(10)23-18(25)13(11(2)22-23)9-21-17-14(19)7-12(24(26)27)8-15(17)20/h3-9,21H,1-2H3/b13-9+InChIKey
PNYLNAMZXXJRGA-UKTHLTGXSA-NSynonyms
(4E)4(((26dichloro4nitrophenyl)amino)methylidene)5methyl2(2methylphenyl)24dihydro3Hpyrazol3one
(4E)4((26dichloro4nitroanilino)methylidene)5methyl2(2methylphenyl)pyrazol3one
CC1=CC=CC=C1N2C(=O)C(=CNC3=C(C=C(C=C3Cl)(N+)(=O)(O))Cl)C(=N2)C
CC1=NN(C(=O)C1=CNc1c(Cl)cc(cc1Cl)(N+)(=O)(O))c1ccccc1C
InChI=1SC18H14Cl2N4O3c110534616(10)2318(25)13(11(2)2223)9211714(19)712(24(26)27)815(17)20h3921H12H3b139+
MFCD00697257
ZINC000101141790
ZINC101141790
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